2-hydroxy-4,9-bis[2-tri(propan-2-yl)silyloxyphenyl]benzo[f]isoindole-1,3-dione

C42H55NO5Si2 — CID 102079994

IUPAC2-hydroxy-4,9-bis[2-tri(propan-2-yl)silyloxyphenyl]benzo[f]isoindole-1,3-dione
SMILESCC(C)[Si](Oc1ccccc1-c1c2c(c(-c3ccccc3O[Si](C(C)C)(C(C)C)C(C)C)c3ccccc13)C(=O)N(O)C2=O)(C(C)C)C(C)C
InChIInChI=1S/C42H55NO5Si2/c1-25(2)49(26(3)4,27(5)6)47-35-23-17-15-21-33(35)37-31-19-13-14-20-32(31)38(40-39(37)41(44)43(46)42(40)45)34-22-16-18-24-36(34)48-50(28(7)8,29(9)10)30(11)12/h13-30,46H,1-12H3
InChIKeySYSXUHLCLKDEMQ-UHFFFAOYSA-N
MW710.08 g/mol
LogP12.27
Rot. Bonds12

About 2-hydroxy-4,9-bis[2-tri(propan-2-yl)silyloxyphenyl]benzo[f]isoindole-1,3-dione

2-hydroxy-4,9-bis[2-tri(propan-2-yl)silyloxyphenyl]benzo[f]isoindole-1,3-dione (PubChem CID 102079994) has the molecular formula C42H55NO5Si2 and a molecular weight of 710.08 g/mol. Its IUPAC name is 2-hydroxy-4,9-bis[2-tri(propan-2-yl)silyloxyphenyl]benzo[f]isoindole-1,3-dione.

Molecular Properties

Compound Name2-hydroxy-4,9-bis[2-tri(propan-2-yl)silyloxyphenyl]benzo[f]isoindole-1,3-dione
PubChem CID102079994
Molecular FormulaC42H55NO5Si2
Molecular Weight710.08 g/mol
Exact Mass709.36
IUPAC Name2-hydroxy-4,9-bis[2-tri(propan-2-yl)silyloxyphenyl]benzo[f]isoindole-1,3-dione
SMILESCC(C)[Si](Oc1ccccc1-c1c2c(c(-c3ccccc3O[Si](C(C)C)(C(C)C)C(C)C)c3ccccc13)C(=O)N(O)C2=O)(C(C)C)C(C)C
InChIInChI=1S/C42H55NO5Si2/c1-25(2)49(26(3)4,27(5)6)47-35-23-17-15-21-33(35)37-31-19-13-14-20-32(31)38(40-39(37)41(44)43(46)42(40)45)34-22-16-18-24-36(34)48-50(28(7)8,29(9)10)30(11)12/h13-30,46H,1-12H3
InChIKeySYSXUHLCLKDEMQ-UHFFFAOYSA-N
XLogP12.27
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.08
LogP ≤ 512.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyisoindole-1,3-dione
CID 66775726
azane;2-hydroxyisoindole-1,3-dione
CID 67653341
CID 66974961
CID 66974961
2-[(1R,2R)-2-tri(propan-2-yl)silyloxycyclopropyl]isoindole-1,3-dione
CID 42637666
(4-fluorodibenzothiophen-3-yl)oxy-tri(propan-2-yl)silane
CID 140813616
2-hydroxy-4,5,6,7-tetraphenylisoindole-1,3-dione
CID 11328819
2-hydroxyisoindole-1,3-dione;propane
CID 143899638
2,2-dimethyl-N-[2-tri(propan-2-yl)silyloxyphenyl]propanamide
CID 24778389
2-[(Z)-2-tri(propan-2-yl)silyloxyethenyl]isoindole-1,3-dione
CID 42637665
2-hydroxy-4-methylisoindole-1,3-dione
CID 15893222
3-(1,3-dioxoisoindol-2-yl)-2-[4-tri(propan-2-yl)silyloxyphenyl]propanoic acid
CID 66599601
(2S,3R)-2-(1,3-dioxoisoindol-2-yl)-3-tri(propan-2-yl)silyloxybutanoic acid
CID 15817127

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4,9-bis[2-tri(propan-2-yl)silyloxyphenyl]benzo[f]isoindole-1,3-dione?
The IUPAC name of 2-hydroxy-4,9-bis[2-tri(propan-2-yl)silyloxyphenyl]benzo[f]isoindole-1,3-dione (CID 102079994) is 2-hydroxy-4,9-bis[2-tri(propan-2-yl)silyloxyphenyl]benzo[f]isoindole-1,3-dione.
What is the SMILES notation for 2-hydroxy-4,9-bis[2-tri(propan-2-yl)silyloxyphenyl]benzo[f]isoindole-1,3-dione?
The canonical SMILES for 2-hydroxy-4,9-bis[2-tri(propan-2-yl)silyloxyphenyl]benzo[f]isoindole-1,3-dione is CC(C)[Si](Oc1ccccc1-c1c2c(c(-c3ccccc3O[Si](C(C)C)(C(C)C)C(C)C)c3ccccc13)C(=O)N(O)C2=O)(C(C)C)C(C)C.
What is the InChIKey of 2-hydroxy-4,9-bis[2-tri(propan-2-yl)silyloxyphenyl]benzo[f]isoindole-1,3-dione?
The InChIKey is SYSXUHLCLKDEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H55NO5Si2/c1-25(2)49(26(3)4,27(5)6)47-35-23-17-15-21-33(35)37-31-19-13-14-20-32(31)38(40-39(37)41(44)43(46)42(40)45)34-22-16-18-24-36(34)48-50(28(7)8,29(9)10)30(11)12/h13-30,46H,1-12H3.
What are the key properties of 2-hydroxy-4,9-bis[2-tri(propan-2-yl)silyloxyphenyl]benzo[f]isoindole-1,3-dione?
2-hydroxy-4,9-bis[2-tri(propan-2-yl)silyloxyphenyl]benzo[f]isoindole-1,3-dione has a molecular weight of 710.08 g/mol, XLogP of 12.27, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4,9-bis[2-tri(propan-2-yl)silyloxyphenyl]benzo[f]isoindole-1,3-dione is sourced from PubChem (CID 102079994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).